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Information card for entry 7716344
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Coordinates | 7716344.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Fe(II) (LBrpyridine) (NCS)2] |
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Chemical name | iron(II) thiocyanate complex of tetradentate Schiff base ligand |
Formula | C17 H14 Br2 Fe N6 S2 |
Calculated formula | C17 H14 Br2 Fe N6 S2 |
Title of publication | Iron(II) Spin Crossover Complexes of Tetradentate Schiff-Bases: Tuning T1/2 by Choice of Formyl-heterocycle Component |
Authors of publication | Robb, Matthew G.; Chong, Shen V.; Brooker, Sally |
Journal of publication | Dalton Transactions |
Year of publication | 2024 |
a | 9.0299 ± 0.0004 Å |
b | 24.7177 ± 0.0009 Å |
c | 10.4288 ± 0.0004 Å |
α | 90° |
β | 111.088 ± 0.005° |
γ | 90° |
Cell volume | 2171.8 ± 0.17 Å3 |
Cell temperature | 279.99 ± 0.11 K |
Ambient diffraction temperature | 279.99 ± 0.11 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0844 |
Residual factor for significantly intense reflections | 0.0756 |
Weighted residual factors for significantly intense reflections | 0.1915 |
Weighted residual factors for all reflections included in the refinement | 0.21 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7716344.html
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